2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline

C11H10ClN3O — CID 112707854

IUPAC2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1c(Cl)cccc1-c1nc(C2CC2)no1
InChIInChI=1S/C11H10ClN3O/c12-8-3-1-2-7(9(8)13)11-14-10(15-16-11)6-4-5-6/h1-3,6H,4-5,13H2
InChIKeyNFOFUAXINWBGPA-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline

2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 112707854) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID112707854
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1c(Cl)cccc1-c1nc(C2CC2)no1
InChIInChI=1S/C11H10ClN3O/c12-8-3-1-2-7(9(8)13)11-14-10(15-16-11)6-4-5-6/h1-3,6H,4-5,13H2
InChIKeyNFOFUAXINWBGPA-UHFFFAOYSA-N
XLogP2.85
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline (CID 112707854) is 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline is Nc1c(Cl)cccc1-c1nc(C2CC2)no1.
What is the InChIKey of 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is NFOFUAXINWBGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-8-3-1-2-7(9(8)13)11-14-10(15-16-11)6-4-5-6/h1-3,6H,4-5,13H2.
What are the key properties of 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 235.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 112707854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).